Compound Detail
CHEMBL429495
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Basic Information
| ChEMBL ID | CHEMBL429495 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DWGHGHIWIZJJKX-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
220.2
MW (Da)
1.84
ALogP
2
HBA
2
HBD
66.0
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.55
IC50 1 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hydroxycarboxylic acid receptor 2 CHEMBL3785 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
| Hydroxycarboxylic acid receptor 2 CHEMBL3785 | EC50 | 5.55 | 5.55 | 2800.0 | 1 |
| Adipocyte CHEMBL614658 | EC50 | 4.49 | 4.49 | 32600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hydroxycarboxylic acid receptor 2 | IC50 | = | 2200.0 | nM | 5.66 | Agonist activity at GPR109A receptor expressed in CHOK1 cells assessed as inhibi... | 17452318 |
| Hydroxycarboxylic acid receptor 2 | EC50 | = | 2800.0 | nM | 5.55 | Agonist activity at human cloned GPR109a receptor by forskolin-stimulated cAMP p... | 17588745 |
| Adipocyte | EC50 | = | 32600.0 | nM | 4.49 | Inhibition of isoproterenol-induced lipolysis in human subcutaneous adipocytes a... | 17452318 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17452318 | 10.1074/jbc.m701866200 | Hydroxycarboxylic acid receptor 2 | 3 |
| 17452318 | 10.1074/jbc.m701866200 | Rattus norvegicus | 3 |
| 17452318 | 10.1074/jbc.m701866200 | Mus musculus | 2 |
| 17588745 | 10.1016/j.bmcl.2007.06.028 | Hydroxycarboxylic acid receptor 2 | 1 |
| 17452318 | 10.1074/jbc.m701866200 | Adipocyte | 1 |
Data from ChEMBL 36 via Core Engine